methyl 4-[[(3-methylsulfanylphenyl)carbamoyl-spiro[5.5]undecan-9-yl-amino]methyl]benzoate

Systemtic Name: methyl 4-[[(3-methylsulfanylphenyl)carbamoyl-spiro[5.5]undecan-9-yl-amino]methyl]benzoate Openeye Name: methyl 4-[[(3-methylsulfanylphenyl)carbamoyl-spiro[5.5]undecan-9-yl-amino]methyl]benzoate CAS Name: 4-[[[[3-(methylthio)anilino]-oxomethyl]-(9-spiro[5.5]undecanyl)amino]methyl]benzoic acid methyl ester IUPAC Name: methyl 4-[[(3-methylsulfanylphenyl)carbamoyl-spiro[5.5]undecan-9-ylamino]methyl]benzoate Traditional Name: 4-[[[3-(methylthio)phenyl]carbamoyl-spiro[5.5]undecan-9-yl-amino]methyl]benzoic acid methyl ester Formula: C28H36N2O3S MolecularWeight: 480.66204

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)CN(C2CCC3(CCCCC3)CC2)C(=O)NC4=CC(=CC=C4)SC

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)CN(C2CCC3(CCCCC3)CC2)C(=O)NC4=CC(=CC=C4)SC

InChI

InChI=1S/C28H36N2O3S/c1-33-26(31)22-11-9-21(10-12-22)20-30(27(32)29-23-7-6-8-25(19-23)34-2)24-13-17-28(18-14-24)15-4-3-5-16-28/h6-12,19,24H,3-5,13-18,20H2,1-2H3,(H,29,32)